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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 340.2
BDBM282749

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vascular endothelial growth factor A


(Homo sapiens (Human))
BDBM282749
PNG
(US9884843, Compound 93)
Show SMILES O[C@@H]1c2c(ccc(OCC3CC3)c2C(F)F)S(=O)(=O)C1(F)F
Show InChI InChI=1S/C13H12F4O4S/c14-12(15)9-7(21-5-6-1-2-6)3-4-8-10(9)11(18)13(16,17)22(8,19)20/h3-4,6,11-12,18H,1-2,5H2/t11-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.89E+3n/an/an/an/a7.5n/a



PELOTON THERAPEUTICS, INC.

US Patent


Assay Description
The total assay volume was about 100 μL in the following configuration: 2-μL compound in DMSO, 88 μL buffer with protein and probe and...


US Patent US9884843 (2018)


BindingDB Entry DOI: 10.7270/Q2HQ41Z0
More data for this
Ligand-Target Pair